N-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide

C17H19N3O2 — CID 108899030

IUPACN-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
SMILESCC(=O)N(C(=O)NCc1ccc(C)cc1)c1ccc(N)cc1
InChIInChI=1S/C17H19N3O2/c1-12-3-5-14(6-4-12)11-19-17(22)20(13(2)21)16-9-7-15(18)8-10-16/h3-10H,11,18H2,1-2H3,(H,19,22)
InChIKeyUNZXYAMLJSJRPU-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.84
Rot. Bonds3

About N-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide

N-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide (PubChem CID 108899030) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
PubChem CID108899030
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
SMILESCC(=O)N(C(=O)NCc1ccc(C)cc1)c1ccc(N)cc1
InChIInChI=1S/C17H19N3O2/c1-12-3-5-14(6-4-12)11-19-17(22)20(13(2)21)16-9-7-15(18)8-10-16/h3-10H,11,18H2,1-2H3,(H,19,22)
InChIKeyUNZXYAMLJSJRPU-UHFFFAOYSA-N
XLogP2.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
CID 108899099
N-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide
CID 108898789
(Z)-N-acetyl-N-(4-aminophenyl)-2-cyano-3-[(4-methylphenyl)methylamino]prop-2-enamide
CID 108818550
1-(4-aminophenyl)-1-methyl-3-(pyridin-4-ylmethyl)urea
CID 69070327
N-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide
CID 108884466
(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 84557574
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N-(4-aminophenyl)-N-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoyl]acetamide
CID 108877848
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-aminobenzoate
CID 23999522
N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide
CID 62539487
1,1-dibutyl-3-[(4-methylphenyl)methyl]urea
CID 108899090
N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide
CID 108894693

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide?
The IUPAC name of N-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide (CID 108899030) is N-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide?
The canonical SMILES for N-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide is CC(=O)N(C(=O)NCc1ccc(C)cc1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide?
The InChIKey is UNZXYAMLJSJRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-3-5-14(6-4-12)11-19-17(22)20(13(2)21)16-9-7-15(18)8-10-16/h3-10H,11,18H2,1-2H3,(H,19,22).
What are the key properties of N-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide?
N-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide is sourced from PubChem (CID 108899030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).